3,3-Dimethyl-2-butanol
TL;DR: 3,3-Dimethyl-2-butanol (CAS 464-07-3) is a chemical compound with molecular formula C6H14O and molecular weight 102.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylbutan-2-ol
Also Known As: Pinacolyl alcohol, 3,3-DIMETHYL-2-BUTANOL, 3,3-Dimethylbutan-2-ol, tert-Butyl methyl carbinol, 2,2-Dimethyl-3-butanol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O |
| Molecular Weight | 102.10446 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.10446 Da |
| Heavy Atoms | 7 |
| Complexity | 51.0 |
| Melting Point | 5.6 °C |
| Boiling Point | 120.4 °C |
| Density | 0.8122 g/cu cm |
| Flash Point | 78.8 °F, 26 °C: closed cup |
| Vapor Pressure | 8.81 [mmHg] |
| Refractive Index | Index of refraction = 1.4148 at 20 °C |
| Solubility | Very soluble ethanol, ethyl ether |
| SMILES | CC(C(C)(C)C)O |
| InChIKey | DFOXKPDFWGNLJU-UHFFFAOYSA-N |
Product Description
Applications: 3,3-Dimethyl-2-butanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 3,3-Dimethyl-2-butanol (CAS 464-07-3) has the molecular formula C6H14O and a molecular weight of 102.1 g/mol. Reported properties include a density of 0.8122 g/cu cm g/cm³, a solubility: Very soluble ethanol, ethyl ether. Synonyms include Pinacolyl alcohol and 3,3-DIMETHYL-2-BUTANOL.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,3-Dimethyl-2-butanol
Property Insights of 3,3-Dimethyl-2-butanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3-Dimethyl-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-butanol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3-Dimethyl-2-butanol?
The CAS number of 3,3-Dimethyl-2-butanol is 464-07-3.
What is the molecular formula of 3,3-Dimethyl-2-butanol?
The molecular formula of 3,3-Dimethyl-2-butanol is C6H14O.
What is the molecular weight of 3,3-Dimethyl-2-butanol?
The molecular weight of 3,3-Dimethyl-2-butanol is 102.10446 g/mol.
What are the applications of 3,3-Dimethyl-2-butanol?
3,3-Dimethyl-2-butanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 3,3-Dimethyl-2-butanol?
You can request a quote for 3,3-Dimethyl-2-butanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethyl-2-butanol?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethyl-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.